3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C17H21N3O5S2 — CID 43005594

IUPAC3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H21N3O5S2/c1-13(14-7-9-15(10-8-14)26(18,22)23)20-17(21)11-12-19-27(24,25)16-5-3-2-4-6-16/h2-10,13,19H,11-12H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyDPMUHCCLSHTDDD-UHFFFAOYSA-N
MW411.51 g/mol
LogP0.88
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 43005594) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID43005594
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Name3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H21N3O5S2/c1-13(14-7-9-15(10-8-14)26(18,22)23)20-17(21)11-12-19-27(24,25)16-5-3-2-4-6-16/h2-10,13,19H,11-12H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyDPMUHCCLSHTDDD-UHFFFAOYSA-N
XLogP0.88
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 43005594) is 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is DPMUHCCLSHTDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-13(14-7-9-15(10-8-14)26(18,22)23)20-17(21)11-12-19-27(24,25)16-5-3-2-4-6-16/h2-10,13,19H,11-12H2,1H3,(H,20,21)(H2,18,22,23).
What are the key properties of 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 411.51 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 43005594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).